| SpectraBase Spectrum ID |
5qbutfWCS3y |
| Name |
4H-Indazol-4-one, 1-(2-benzothiazolyl)-1,5,6,7-tetrahydro-3,6,6-trimethyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.109233352 u |
| Formula |
C17H17N3OS |
| InChI |
InChI=1S/C17H17N3OS/c1-10-15-12(8-17(2,3)9-13(15)21)20(19-10)16-18-11-6-4-5-7-14(11)22-16/h4-7H,8-9H2,1-3H3 |
| InChIKey |
DMXBEZYZRXHZAY-UHFFFAOYSA-N |
| Molecular Weight |
311.403 g/mol |
| SMILES |
C1=CC=2SC(N3C4=C(C(=O)CC(C4)(C)C)C(=N3)C)=NC2C=C1 |
